2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C12H11FN2OS2 — CID 107029530

IUPAC2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1cc(S)ccc1F
InChIInChI=1S/C12H11FN2OS2/c13-10-2-1-8(17)7-9(10)12(16)15-4-3-11-14-5-6-18-11/h1-2,5-7,17H,3-4H2,(H,15,16)
InChIKeyNWTGCOWAEVWUNZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.54
Rot. Bonds4

About 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 107029530) has the molecular formula C12H11FN2OS2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID107029530
Molecular FormulaC12H11FN2OS2
Molecular Weight282.36 g/mol
Exact Mass282.03
IUPAC Name2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1cc(S)ccc1F
InChIInChI=1S/C12H11FN2OS2/c13-10-2-1-8(17)7-9(10)12(16)15-4-3-11-14-5-6-18-11/h1-2,5-7,17H,3-4H2,(H,15,16)
InChIKeyNWTGCOWAEVWUNZ-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
2,5-difluoro-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 104699379
2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
CID 107028407
N-[2-(carbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034092
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
2,6-difluoro-3-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103740642

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 107029530) is 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nccs1)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is NWTGCOWAEVWUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS2/c13-10-2-1-8(17)7-9(10)12(16)15-4-3-11-14-5-6-18-11/h1-2,5-7,17H,3-4H2,(H,15,16).
What are the key properties of 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 282.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 107029530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).